N-[[4-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-2-iodanyl-benzamide

Systemtic Name: N-[[4-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-2-iodanyl-benzamide Openeye Name: N-[[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-iodo-benzamide CAS Name: N-[[4-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-iodobenzamide IUPAC Name: N-[[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-iodobenzamide Traditional Name: N-[[4-[4-(4-chlorobenzoyl)piperazino]phenyl]thiocarbamoyl]-2-iodo-benzamide Formula: C25H22ClIN4O2S MolecularWeight: 604.89025

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3I)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3I)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H22ClIN4O2S/c26-18-7-5-17(6-8-18)24(33)31-15-13-30(14-16-31)20-11-9-19(10-12-20)28-25(34)29-23(32)21-3-1-2-4-22(21)27/h1-12H,13-16H2,(H2,28,29,32,34)